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Home > Fluorides > 1017294-09-5
1017294-09-5 | L-Phenylalanine, N-acetyl-2,5-difluoro-
CAS No: 1017294-09-5 Catalog No: AG0005BF MDL No:MFCD09261311
Product Description
Catalog Number:
AG0005BF
Chemical Name:
L-Phenylalanine, N-acetyl-2,5-difluoro-
CAS Number:
1017294-09-5
Molecular Formula:
C11H11F2NO3
Molecular Weight:
243.2067
MDL Number:
MFCD09261311
IUPAC Name:
(2S)-2-acetamido-3-(2,5-difluorophenyl)propanoic acid
InChI:
InChI=1S/C11H11F2NO3/c1-6(15)14-10(11(16)17)5-7-4-8(12)2-3-9(7)13/h2-4,10H,5H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChI Key:
WJRDSRFBLPWNBZ-JTQLQIEISA-N
SMILES:
CC(=O)N[C@H](C(=O)O)Cc1cc(F)ccc1F
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
243.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.21g/mol
Monoisotopic Mass:
243.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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